2-oxo-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
Formula:C17H16N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-oxo-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide is a drug-like molecule.
| MolName | 2-oxo-4-phenyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide |
| MolecularFormula | C17H16N4O2 |
| Smiles | O=C(C(C(CN1)c2ccccc2)C1=O)N/N=C\c1cnccc1 |
| InChI | InChI=1S/C17H16N4O2/c22-16-15(14(11-19-16)13-6-2-1-3-7-13)17(23)21-20-10-12-5-4-8-18-9-12/h1-10,14-15H,11H2,(H,19,22)(H,21,23) |
| InChIK | IXYMHFSREYCOFO-UHFFFAOYSA-N |
| TotalMolweight | 308.34 |
| Molweight | 308.34 |
| MonoisotopicMass | 308.127326 |
| CLogP | 1.6297 |
| CLogS | -3.002 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 240.22 |
| Relative PSA | 0.29756 |
| PolarSurfaceArea | 83.45 |
| Druglikeness | 6.9271 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| StereoCenters | 2 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon | unknown chirality |
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